Compound Detail
CHEMBL240279
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2
Basic Information
| ChEMBL ID | CHEMBL240279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISLWREAINDUHKQ-BBYQXYBISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
0.39
ALogP
11
HBA
4
HBD
155.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 4.46 | 4.46 | 34700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 2.5 | nM | 8.6 | Agonist activity at adenosine A1 receptor expressed in DDT1 MF2 cells assessed a... | 17967536 |
| Adenosine receptor A1 | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]CPX from adenosine A1 receptor expressed in DDT1 MF2 cells | 17967536 |
| Adenosine receptor A2a | Ki | = | 34700.0 | nM | 4.46 | Displacement of [3H]ZM-241385 from adenosine A2A receptor expressed in PC12 cell... | 17967536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17967536 | 10.1016/j.bmcl.2007.10.028 | Adenosine receptor A1 | 3 |
| 17967536 | 10.1016/j.bmcl.2007.10.028 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine